methyl (1R,2R,4R)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
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Basic information
- CAS
53526-60-6- Standard SMILES
CC[C@@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC- InChIKey
RACGRCLGVYXIAO-LEXZLQQCSA-N- Molecular formula
- C22H20O8
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.11581759
Overview
Aklavinone II has been reported in Streptomyces galilaeus and Streptomyces bobili with data available.
Names & identifiers
- Preferred name
- methyl (1R,2R,4R)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
- IUPAC
- methyl (1R,2R,4R)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
- English name
- (1R,2R,4R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylic acid methyl ester
- Molecular formula
- C22H20O8
- Molecular weight
- 412.39
Names & synonyms
Aklavinone II(1R,2R,4R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylic acid methyl ester1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4R)-
Database identifiers
- CAS
53526-60-6- PubChem CID
- 90473257
- Nikkaji
- J10.035H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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